(4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone

C22H21N5O — CID 168926549

IUPAC(4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone
SMILESCN1CCN(C(=O)c2c[nH]c3ncc4ccc(-c5cccnc5)cc4c23)CC1
InChIInChI=1S/C22H21N5O/c1-26-7-9-27(10-8-26)22(28)19-14-25-21-20(19)18-11-15(4-5-17(18)13-24-21)16-3-2-6-23-12-16/h2-6,11-14H,7-10H2,1H3,(H,24,25)
InChIKeyNLJQXCNDYKKMOH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.17
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone

(4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone (PubChem CID 168926549) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone
PubChem CID168926549
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name(4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone
SMILESCN1CCN(C(=O)c2c[nH]c3ncc4ccc(-c5cccnc5)cc4c23)CC1
InChIInChI=1S/C22H21N5O/c1-26-7-9-27(10-8-26)22(28)19-14-25-21-20(19)18-11-15(4-5-17(18)13-24-21)16-3-2-6-23-12-16/h2-6,11-14H,7-10H2,1H3,(H,24,25)
InChIKeyNLJQXCNDYKKMOH-UHFFFAOYSA-N
XLogP3.17
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone with MolForge

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Related Compounds

8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde
CID 168926750
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one
CID 168805702
5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11562287
(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11461682
1-[2-(4-methylpiperazin-1-yl)-5-pyridin-3-ylphenyl]prop-2-en-1-one
CID 91511620
[4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67235332
(2,6-difluoro-3-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58065981
methyl 1-oxo-9-pyridin-3-yl-2H-benzo[h]isoquinoline-6-carboxylate
CID 57455568
(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
CID 66556102
(5,5-dimethoxycyclohexa-1,3-dien-1-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 67995085
5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 91110177

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone (CID 168926549) is (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone is CN1CCN(C(=O)c2c[nH]c3ncc4ccc(-c5cccnc5)cc4c23)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone?
The InChIKey is NLJQXCNDYKKMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-26-7-9-27(10-8-26)22(28)19-14-25-21-20(19)18-11-15(4-5-17(18)13-24-21)16-3-2-6-23-12-16/h2-6,11-14H,7-10H2,1H3,(H,24,25).
What are the key properties of (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone?
(4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone is sourced from PubChem (CID 168926549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).